2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-butoxyphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-butoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-butoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-butoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-butoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-butoxyphenyl)acetamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C19H22N6O2S/c1-2-3-11-27-16-6-4-5-15(12-16)22-17(26)13-28-19-24-23-18(25(19)20)14-7-9-21-10-8-14/h4-10,12H,2-3,11,13,20H2,1H3,(H,22,26)